Molecule

ID:97869

General Information
Structure
MolImage
Molecular Formula
C₈H₉F₂N
Molecular Mass
157.1605664
Exact Mass
157.07030573
Charge
0
InChI
InChI=1S/C8H9F2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3/t5-/m1/s1
InChIKey
XTIXPIMMHGCRJD-RXMQYKEDSA-N
Canonic Smiles
C[C@H](c1cc(F)cc(c1)F)N
Isomeric Smiles
N[C@@H](c1cc(cc(c1)F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1759102
LogD (pH = 7.4)
-0.1577691
Log P
1.8009932
Molar Refractivity
39.383
Polarizability
14.895126
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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